N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide

C22H40N4O4 — CID 163927727

IUPACN-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCC(NC(=O)C(C)(C)C)C1)C(CC(=O)C(C)(C)C)C(=O)NCCN
InChIInChI=1S/C22H40N4O4/c1-21(2,3)17(27)13-16(18(28)24-11-10-23)26(7)19(29)14-8-9-15(12-14)25-20(30)22(4,5)6/h14-16H,8-13,23H2,1-7H3,(H,24,28)(H,25,30)
InChIKeyRFYLGLMVNYDEON-UHFFFAOYSA-N
MW424.59 g/mol
LogP1.22
Rot. Bonds8

About N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide

N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide (PubChem CID 163927727) has the molecular formula C22H40N4O4 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide
PubChem CID163927727
Molecular FormulaC22H40N4O4
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC NameN-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCC(NC(=O)C(C)(C)C)C1)C(CC(=O)C(C)(C)C)C(=O)NCCN
InChIInChI=1S/C22H40N4O4/c1-21(2,3)17(27)13-16(18(28)24-11-10-23)26(7)19(29)14-8-9-15(12-14)25-20(30)22(4,5)6/h14-16H,8-13,23H2,1-7H3,(H,24,28)(H,25,30)
InChIKeyRFYLGLMVNYDEON-UHFFFAOYSA-N
XLogP1.22
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxycyclopentyl)-2,2-dimethylpropanamide
CID 147180484
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113
N-(2-aminoethyl)-2,2-dimethylpropanamide;hydrochloride
CID 47002886
N-(3-fluorocyclopentyl)-2,2-dimethylpropanamide
CID 126992134
(2S)-N-(2-aminoethyl)-2-[methyl(prop-2-enoyl)amino]-4-oxopentanamide
CID 130218949
(1S,3R,4R)-4-amino-3-(2,2-dimethylpropanoylamino)-N,N-dimethylcyclohexane-1-carboxamide;oxalic acid;hydrate
CID 56596711
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639
N-cyclobutyl-3-[3-(2,2-dimethylpropanoylamino)cyclopentyl]-2,2-dimethylpropanamide
CID 135278622
N-cyclobutyl-2,2-dimethylpropanamide
CID 21051515
N-(2-aminoethyl)-N'-cyclopropyloxamide
CID 43315719
N-(2-aminoethyl)-2-(dimethylamino)-4-methylpentanamide
CID 170685872
N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide (CID 163927727) is N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide is CN(C(=O)C1CCC(NC(=O)C(C)(C)C)C1)C(CC(=O)C(C)(C)C)C(=O)NCCN.
What is the InChIKey of N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide?
The InChIKey is RFYLGLMVNYDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O4/c1-21(2,3)17(27)13-16(18(28)24-11-10-23)26(7)19(29)14-8-9-15(12-14)25-20(30)22(4,5)6/h14-16H,8-13,23H2,1-7H3,(H,24,28)(H,25,30).
What are the key properties of N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide?
N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 1.22, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-aminoethylamino)-5,5-dimethyl-1,4-dioxohexan-2-yl]-3-(2,2-dimethylpropanoylamino)-N-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 163927727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).